文献类型：期刊文献

英文题名：A novel kinetic model of complex reaction systems in molecular level: Part 2. Simulation of deep catalytic cracking

作者：Ouyang, F. -Sh.[1];Wang, L.[1];Jiang, H. -B.[1];Weng, H. -X.[1];Ma, F. -S.[1]

机构：[1]E China Univ Sci & Technol, Inst Petr Proc, Shanghai 200237, Peoples R China

年份：2008

卷号：26

期号：15

起止页码：1822

外文期刊名：PETROLEUM SCIENCE AND TECHNOLOGY

收录：;EI(收录号：20084111627711);WOS:【SCI-EXPANDED(收录号:WOS:000259646500007)】；

基金：Supported by the National Natural Science Foundation of China (ID No. 20476030).

语种：英文

外文关键词：complex reaction systems; deep catalytic cracking; molecular level; Monte Carlo simulation; reaction kinetics; reaction networks

摘要：A kinetic model of complex reaction systems such as DCC-I in molecular level was built by the method that combined Monte Carlo simulation and structural-oriented lumping. Seventy-five reaction rules, including the reactions of paraffins, olefins, naphthenics, and aromatics, were made to build the reaction networks of complex reaction system DCC-I. The results showed that the relationship of product yields with reaction extent was reasonable, the yields and properties of major products, propylene and gasoline, in optimized reaction extent gave a good agreement with the plant data, and the reaction rules and the reaction network could very well reflect the characters of DCC-I. Simulations of two sets of molecules produced by the same regular plant data were parallel, and the kinetic model had good repeatability, convergence, robustness, and sensitivity.